5-acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 8009-4620 |
| Compound Name: | 5-acetyl-7-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 249.22 |
| Molecular Formula: | C11 H11 N3 O4 |
| Smiles: | CC(N1CCC(Nc2ccc(cc12)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5401 |
| logD: | -1.2518 |
| logSw: | -2.2943 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.903 |
| InChI Key: | QCAZREKATBDQDX-UHFFFAOYSA-N |